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	hartrees
Energy at 0K	-156.147041
Energy at 298.15K	-156.156373
HF Energy	-156.147041
Nuclear repulsion energy	127.691078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3208	2915	0.00
2	A₁	3183	2892	0.00
3	A₁	1647	1497	0.00
4	A₁	1276	1160	0.00
5	A₁	1073	975	0.00
6	A₁	206	187	0.00
7	A₂	1374	1249	0.00
8	A₂	1030	935	0.00
9	B₁	1372	1247	0.00
10	B₁	1273	1157	0.00
11	B₁	1003	911	0.00
12	B₂	3241	2945	144.01
13	B₂	3172	2882	13.63
14	B₂	1606	1459	2.90
15	B₂	957	869	0.06
16	B₂	678	616	1.73
17	E	3219	2925	30.73
17	E	3219	2925	30.73
18	E	3176	2886	97.13
18	E	3176	2886	97.13
19	E	1604	1458	0.63
19	E	1604	1458	0.63
20	E	1415	1285	0.78
20	E	1415	1285	0.78
21	E	1351	1227	0.04
21	E	1351	1227	0.04
22	E	976	886	2.47
22	E	976	886	2.47
23	E	803	730	0.12
23	E	803	730	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.077	0.126
C2	0.000	-1.077	0.126
C3	-1.077	0.000	-0.126
C4	1.077	0.000	-0.126
H5	0.000	1.409	1.157
H6	0.000	1.949	-0.515
H7	0.000	-1.409	1.157
H8	0.000	-1.949	-0.515
H9	-1.409	0.000	-1.157
H10	-1.949	0.000	0.515
H11	1.409	0.000	-1.157
H12	1.949	0.000	0.515

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1543	1.5441	1.5441	1.0833	1.0821	2.6914	3.0932	2.1892	2.2604	2.1892	2.2604
C2	2.1543		1.5441	1.5441	2.6914	3.0932	1.0833	1.0821	2.1892	2.2604	2.1892	2.2604
C3	1.5441	1.5441		2.1543	2.1892	2.2604	2.1892	2.2604	1.0833	1.0821	2.6914	3.0932
C4	1.5441	1.5441	2.1543		2.1892	2.2604	2.1892	2.2604	2.6914	3.0932	1.0833	1.0821
H5	1.0833	2.6914	2.1892	2.1892		1.7574	2.8177	3.7511	3.0542	2.4891	3.0542	2.4891
H6	1.0821	3.0932	2.2604	2.2604	1.7574		3.7511	3.8977	2.4891	2.9422	2.4891	2.9422
H7	2.6914	1.0833	2.1892	2.1892	2.8177	3.7511		1.7574	3.0542	2.4891	3.0542	2.4891
H8	3.0932	1.0821	2.2604	2.2604	3.7511	3.8977	1.7574		2.4891	2.9422	2.4891	2.9422
H9	2.1892	2.1892	1.0833	2.6914	3.0542	2.4891	3.0542	2.4891		1.7574	2.8177	3.7511
H10	2.2604	2.2604	1.0821	3.0932	2.4891	2.9422	2.4891	2.9422	1.7574		3.7511	3.8977
H11	2.1892	2.1892	2.6914	1.0833	3.0542	2.4891	3.0542	2.4891	2.8177	3.7511		1.7574
H12	2.2604	2.2604	3.0932	1.0821	2.4891	2.9422	2.4891	2.9422	3.7511	3.8977	1.7574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.469	C1	C3	H9	111.666
C1	C3	H10	117.717	C1	C4	C2	88.469
C1	C4	H11	111.666	C1	C4	H12	117.717
C2	C3	H9	111.666	C2	C3	H10	117.717
C2	C4	H11	111.666	C2	C4	H12	117.717
C3	C1	C4	88.469	C3	C1	H5	111.666
C3	C1	H6	117.717	C3	C2	C4	88.469
C3	C2	H7	111.666	C3	C2	H8	117.717
C4	C1	H5	111.666	C4	C1	H6	117.717
C4	C2	H7	111.666	C4	C2	H8	117.717
H5	C1	H6	108.506	H7	C2	H8	108.506
H9	C3	H10	108.506	H11	C4	H12	108.506

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.246
2	C	-0.246
3	C	-0.246
4	C	-0.246
5	H	0.131
6	H	0.115
7	H	0.131
8	H	0.115
9	H	0.131
10	H	0.115
11	H	0.131
12	H	0.115

<r²>	74.595
(<r²>)^1/2	8.637

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)